SCHEMBL4544654

SCHEMBL4544654

Cc1ccc(C(C)(C)C)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
TSHR P16473 2/20 0.39
PTPN1 P18031 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2A6 P11509 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4062935 0.83 NPC1 (0.40) ALDH1A1SMN1; SMN2PTPN1HTR2AHTR2C
SCHEMBL14958302 0.82 PTPN1 (0.39) ALDH1A1SMN1; SMN2POLBPTPN1HTR2A
SCHEMBL30623436 0.82 PTPN1 (0.39) ALDH1A1SMN1; SMN2POLBPTPN1HTR2A
SCHEMBL16355402 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL1042555 0.79 NOTUM (0.49) ALDH1A1SMN1; SMN2PTPN1CYP1A2CYP2A6
SCHEMBL9809603 0.79 PTPN1 (0.37) ALDH1A1SMN1; SMN2PTPN1HTR2AHTR2C
SCHEMBL29616577 0.79 NOTUM (0.49) ALDH1A1SMN1; SMN2PTPN1CYP1A2CYP2A6
SCHEMBL12732542 0.78 AR (0.43) ALDH1A1SMN1; SMN2POLBTSHRPTGS1
SCHEMBL12732927 0.78 ALOX15 (0.42) ALDH1A1SMN1; SMN2CA2TYRTSHR
SCHEMBL17594923 0.77 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CA2POLBTYR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators The Board of Directors of the University of Illinois (US) 2020-07-07 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS (US) 2019-08-15 US disclosed
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2018-08-09 US disclosed
US-9090588-B2 Alkyne substituted quinazoline compound and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-07-28 US disclosed
US-8962244-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2015-02-24 US disclosed
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-05-08 US disclosed
US-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR UNIVERSITY OF MASSACHUSETTS (US) 2013-08-22 US disclosed
US-20130190529-A1 Fluorine Radiolabelling Process ISIS INNOVATION LIMITED (GB) 2013-07-25 US disclosed
US-8377639-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2013-02-19 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-17 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 ALDH1A1 1978/4885SMN1; SMN2 4625/4885CA2 3809/4885
US-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 ALDH1A1 3135/4885SMN1; SMN2 2721/4885CA2 4825/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885SMN1; SMN2 1844/4885CA2 1125/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 ALDH1A1 525/4885SMN1; SMN2 4427/4885CA2 986/4885
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS ESR1, ESR2, GPER1 ALDH1A1 1567/4885SMN1; SMN2 4537/4885CA2 3933/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP ALDH1A1 814/4885SMN1; SMN2 3515/4885CA2 3202/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ALDH1A1 894/4885SMN1; SMN2 3624/4885CA2 3320/4885
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, GPR27 ALDH1A1 2981/4885SMN1; SMN2 4831/4885CA2 3234/4885
US-20130190529-A1 Fluorine Radiolabelling Process ESRRG, NR5A2, RXFP4 ALDH1A1 2811/4885SMN1; SMN2 3263/4885CA2 2854/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885SMN1; SMN2 3624/4885CA2 3320/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 ALDH1A1 525/4885SMN1; SMN2 4427/4885CA2 986/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 ALDH1A1 1153/4885SMN1; SMN2 2854/4885CA2 1422/4885
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 ALDH1A1 3135/4885SMN1; SMN2 2721/4885CA2 4825/4885
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators ESR1, ESR2, GPER1 ALDH1A1 1567/4885SMN1; SMN2 4537/4885CA2 3933/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP ALDH1A1 814/4885SMN1; SMN2 3515/4885CA2 3202/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ALDH1A1 1619/4885SMN1; SMN2 3107/4885CA2 4049/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.